HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 03-APR-07 2YSK COMPND HYPOTHETICAL PROTEIN TTHA1432; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; SOURCE 3 ORGANISM_TAXID: 300852; SOURCE 4 STRAIN: HB8; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: B834(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET11A AUTHOR A.OKAMOTO,S.YOKOYAMA,S.KURAMITSU,RIKEN STRUCTURAL GENOMICS/PROTEOMICS AUTHOR 2 INITIATIVE (RSGI) HET SO4 A 146 5 SITE 1 AC1 8 ARG A 11 THR A 12 LYS A 15 PRO A 63 mSER.A 2 11.66 17.37 111.14 11.92 17.01 112.04 12.43 17.87 108.82 12.24 17.58 107.64 11.27 17.91 109.81 10.74 19.34 109.94 2 0 16.22-999 ?-999 ?-999 ? O4 SO4 A 146 mALA.A 3 13.64 18.15 109.31 13.65 18.37 110.28 16.12 18.11 109.29 16.92 17.18 109.16 14.83 18.14 108.47 14.83 19.34 107.53 2 0 14.26-999 ?-999 ?-999 ? O3 SO4 A 146 mTHR.A 4 16.33 19.13 110.11 15.60 19.82 110.11 17.16 19.33 112.43 18.01 19.20 113.30 17.52 19.22 110.95 18.39 20.46 110.61 2 0 13.49-999 ?-999 ?-999 ? O3 SO4 A 146 mGLY.A 5 15.88 19.61 112.70 15.28 19.69 111.90 15.56 21.22 114.50 15.20 21.57 115.63 15.44 19.77 114.07-999.99-999.99-999.99 1 0 14.73-999 ?-999 ?-999 ? O4 SO4 A 146 mLEU~A 6 16.09 22.06 113.61 16.36 21.62 112.75 15.67 24.31 112.74 16.03 24.13 111.58 16.25 23.48 113.87 17.73 23.86 114.05 3 0 11.50-999 ?-999 ?-999 ? O4 SO4 A 146 mGLU~A 7 14.76 25.22 113.08 14.57 25.26 114.06 15.12 26.91 111.30 14.98 27.08 110.08 14.11 26.07 112.08 13.09 26.99 112.76 2 0 9.26-999 ?-999 ?-999 ? O4 SO4 A 146 mVAL~A 8 16.13 27.42 111.99 16.12 27.20 112.96 17.90 27.47 110.25 18.15 28.00 109.17 17.16 28.24 111.35 18.15 28.83 112.40 3 0 6.28-999 ?-999 ?-999 ? O4 SO4 A 146 mPHE~A 9 18.22 26.20 110.52 17.95 25.88 111.43 17.97 24.92 108.42 18.37 24.86 107.26 18.91 25.38 109.53 19.60 24.18 110.18 3 0 7.33-999 ?-999 ?-999 ? O4 SO4 A 146 mASP~A 10 16.72 24.61 108.77 16.53 24.69 109.75 15.53 25.33 106.78 15.37 25.10 105.57 15.73 24.19 107.77 14.38 23.87 108.44 2 0 8.43-999 ?-999 ?-999 ? O4 SO4 A 146 mARG~A 11 15.55 26.55 107.29 15.69 26.57 108.29 16.53 27.95 105.50 16.31 28.25 104.33 15.38 27.75 106.49 15.27 28.98 107.40 2 0 -5.31-999 ?-999 ?-999 ? O4 SO4 A 146s mTHR~A 12 17.77 27.81 105.98 17.84 27.58 106.95 18.99 26.86 104.06 19.44 27.08 102.93 18.91 28.00 105.08 20.25 28.19 105.84 2 0 -3.14-999 ?-999 ?-999 ? O3 SO4 A 146s mLEU~A 13 18.54 25.67 104.43 18.21 25.62 105.38 17.52 24.80 102.41 17.76 24.50 101.24 18.54 24.53 103.51 18.19 23.22 104.23 3 0 6.71-999 ?-999 ?-999 ? O3 SO4 A 146 mHIS~A 14 16.38 25.36 102.79 16.31 25.54 103.77 15.81 26.72 100.82 15.57 26.59 99.62 15.32 25.68 101.83 14.08 26.20 102.56 3 0 7.53-999 ?-999 ?-999 ? O3 SO4 A 146 mLYS~A 15 16.50 27.75 101.31 16.61 27.74 102.30 18.10 28.26 99.52 18.11 28.53 98.32 17.02 28.80 100.44 17.59 29.96 101.27 2 0 -5.58-999 ?-999 ?-999 ? O3 SO4 A 146s mTHR~A 16 19.02 27.48 100.08 18.89 27.34 101.06 19.57 25.97 98.22 20.08 25.94 97.10 20.11 26.90 99.31 21.08 26.13 100.23 2 0 6.85-999 ?-999 ?-999 ? O3 SO4 A 146 mHIS~A 17 18.52 25.22 98.56 18.21 25.33 99.50 17.33 25.13 96.44 17.42 24.73 95.28 17.90 24.31 97.60 16.80 23.49 98.26 3 0 9.99-999 ?-999 ?-999 ? O3 SO4 A 146 mALA~A 18 16.75 26.29 96.76 16.75 26.49 97.74 17.25 27.68 94.81 17.07 27.72 93.59 16.17 27.17 95.75 15.45 28.35 96.42 2 0 10.45-999 ?-999 ?-999 ? O3 SO4 A 146 mTRP~A 19 18.39 28.06 95.38 18.41 27.98 96.38 20.02 27.47 93.63 20.22 27.74 92.45 19.52 28.54 94.59 20.68 28.94 95.50 3 0 10.49-999 ?-999 ?-999 ? O3 SO4 A 146 mLEU~A 20 20.26 26.27 94.16 20.07 26.21 95.14 19.78 24.75 92.26 20.20 24.44 91.15 20.76 25.16 93.36 21.09 23.95 94.24 3 0 12.88-999 ?-999 ?-999 ? O3 SO4 A 146 mLYS~A 21 18.49 24.76 92.59 18.31 25.01 93.54 17.47 25.41 90.46 17.31 25.03 89.29 17.45 24.42 91.62 16.07 24.42 92.31 2 0 14.90-999 ?-999 ?-999 ? O3 SO4 A 146 mALA~A 22 17.67 26.69 90.78 17.79 26.85 91.76 18.97 27.57 88.89 18.92 27.78 87.68 17.73 27.74 89.76 17.72 29.12 90.43 2 0 15.50-999 ?-999 ?-999 ? O3 SO4 A 146 mILE~A 23 20.08 27.20 89.52 19.98 27.08 90.51 21.17 25.77 87.86 21.62 25.80 86.72 21.33 26.98 88.80 22.52 26.77 89.78 3 0 16.56-999 ?-999 ?-999 ? O3 SO4 A 146 mMET~A 24 20.49 24.73 88.34 20.17 24.84 89.28 19.44 23.85 86.28 19.73 23.32 85.20 20.25 23.53 87.53 19.50 22.47 88.35 2 0 18.81-999 ?-999 ?-999 ? O3 SO4 A 146 mGLU~A 25 18.43 24.70 86.42 18.31 25.03 87.36 18.37 25.89 84.26 18.18 25.72 83.05 17.58 25.10 85.30 16.39 25.93 85.78 2 0 20.48-999 ?-999 ?-999 ? O3 SO4 A 146 mGLU~A 26 19.24 26.77 84.74 19.28 26.81 85.74 21.04 26.72 83.09 21.25 26.92 81.90 20.07 27.60 83.88 20.82 28.63 84.71 2 0 21.18-999 ?-999 ?-999 ? O3 SO4 A 146 mLEU~A 27 21.61 25.72 83.77 21.33 25.67 84.73 21.85 23.77 82.26 22.48 23.16 81.39 22.55 24.80 83.15 23.37 24.06 84.22 3 0 22.68-999 ?-999 ?-999 ? O3 SO4 A 146 mGLY~A 28 20.55 23.58 82.49 20.17 24.14 83.22 20.09 21.18 82.13 19.94 20.25 81.34 19.77 22.61 81.73-999.99-999.99-999.99 1 0 24.54-999 ?-999 ?-999 ? O3 SO4 A 146 mTHR.A 29 20.47 21.00 83.39 20.48 21.83 83.94 19.95 19.15 85.00 19.23 19.90 85.66 20.85 19.68 83.89 22.31 19.70 84.41 2 0 23.79-999 ?-999 ?-999 ? O3 SO4 A 146 mGLU.A 30 19.98 17.83 85.17 20.56 17.34 84.52 20.17 16.72 87.33 19.75 16.17 88.35 19.22 17.17 86.23 18.42 15.98 85.69 2 0 23.15-999 ?-999 ?-999 ? O3 SO4 A 146 mASP~A 31 21.47 16.96 87.12 21.65 17.42 86.25 22.71 17.67 89.11 23.30 18.72 88.81 22.51 16.57 88.07 23.82 16.30 87.32 2 0 22.26-999 ?-999 ?-999 ? O3 SO4 A 146 mARG~A 32 22.25 17.41 90.33 21.83 16.51 90.42 23.82 18.66 91.79 24.18 19.80 92.08 22.36 18.37 91.43 21.66 17.82 92.68 2 0 18.57-999 ?-999 ?-999 ? O3 SO4 A 146 mHIS~A 33 24.65 17.63 91.75 24.23 16.76 91.48 26.78 18.70 91.11 27.70 19.42 91.50 26.06 17.78 92.09 26.76 16.41 92.17 3 0 19.39-999 ?-999 ?-999 ? O3 SO4 A 146 mLYS~A 34 26.37 18.68 89.85 25.63 18.04 89.65 26.69 21.02 89.19 27.57 21.88 89.10 26.99 19.56 88.85 26.51 19.21 87.44 2 0 20.91-999 ?-999 ?-999 ? O3 SO4 A 146 mALA~A 35 25.46 21.29 89.61 24.85 20.49 89.65 25.83 23.09 91.23 26.20 24.26 91.34 25.06 22.64 89.99 23.56 22.70 90.25 2 0 17.80-999 ?-999 ?-999 ? O3 SO4 A 146 mTYR~A 36 26.07 22.17 92.16 25.68 21.27 91.95 28.26 22.85 93.00 28.80 23.86 93.46 26.82 22.48 93.37 26.82 21.27 94.32 3 0 15.91-999 ?-999 ?-999 ? O3 SO4 A 146 mLEU~A 37 28.89 22.03 92.15 28.34 21.25 91.86 30.38 23.64 91.04 31.37 24.35 91.23 30.26 22.28 91.72 30.74 21.17 90.77 3 0 18.90-999 ?-999 ?-999 ? O3 SO4 A 146 mALA~A 38 29.37 23.99 90.25 28.64 23.31 90.19 29.28 26.41 90.55 30.06 27.36 90.46 29.34 25.27 89.54 28.14 25.33 88.60 2 0 18.90-999 ?-999 ?-999 ? O3 SO4 A 146 mLEU~A 39 28.36 26.31 91.51 27.81 25.48 91.47 29.51 27.53 93.31 29.95 28.66 93.51 28.20 27.34 92.54 27.09 26.96 93.52 3 0 15.32-999 ?-999 ?-999 ? O3 SO4 A 146 mARG~A 40 30.11 26.42 93.71 29.63 25.58 93.45 32.51 27.05 93.67 33.16 27.99 94.16 31.36 26.42 94.45 31.72 24.98 94.85 2 0 16.20-999 ?-999 ?-999 ? O3 SO4 A 146 mALA~A 41 32.75 26.56 92.46 32.13 25.83 92.19 33.71 28.55 91.26 34.70 29.28 91.29 33.84 27.07 91.62 33.97 26.24 90.36 2 0 19.68-999 ?-999 ?-999 ? O3 SO4 A 146 mVAL~A 42 32.49 28.98 90.93 31.78 28.27 90.95 32.33 31.33 91.74 32.92 32.41 91.62 32.26 30.37 90.55 30.92 30.53 89.81 3 0 18.95-999 ?-999 ?-999 ? O3 SO4 A 146 mLEU~A 43 31.75 30.95 92.87 31.29 30.06 92.84 33.25 32.03 94.48 33.64 33.15 94.82 31.80 31.81 94.06 31.03 31.20 95.23 3 0 16.15-999 ?-999 ?-999 ? O3 SO4 A 146 mHIS~A 44 34.06 30.98 94.43 33.63 30.14 94.11 36.28 31.96 93.89 37.11 32.76 94.34 35.46 31.09 94.83 36.08 29.70 94.99 3 0 18.60-999 ?-999 ?-999 ? O3 SO4 A 146 mALA~A 45 36.03 31.85 92.59 35.32 31.19 92.36 36.37 34.14 91.77 37.24 35.01 91.72 36.74 32.66 91.61 36.42 32.18 90.20 2 0 21.56-999 ?-999 ?-999 ? O3 SO4 A 146 mLEU~A 46 35.09 34.41 92.00 34.50 33.60 92.04 35.15 36.37 93.49 35.63 37.50 93.52 34.61 35.78 92.18 33.08 35.80 92.20 3 0 19.94-999 ?-999 ?-999 ? O2 SO4 A 146 mARG~A 47 35.07 35.58 94.55 34.65 34.69 94.35 37.01 36.41 95.87 37.38 37.40 96.51 35.55 35.97 95.88 35.40 34.78 96.84 2 0 18.32-999 ?-999 ?-999 ? O2 SO4 A 146 mASP~A 48 37.85 35.67 95.14 37.41 34.91 94.67 39.66 37.26 94.36 40.82 37.68 94.41 39.28 35.96 95.06 40.03 34.79 94.42 2 0 21.84-999 ?-999 ?-999 ? O2 SO4 A 146 mARG.A 49 38.69 37.90 93.71 37.81 37.44 93.72 38.53 40.35 93.92 38.66 41.51 93.53 38.95 39.17 93.04 38.19 39.25 91.72 2 0 23.37-999 ?-999 ?-999 ? O2 SO4 A 146 mLEU.A 50 38.05 40.04 95.12 38.05 39.07 95.33 38.50 41.29 97.24 39.21 40.38 97.67 37.58 41.07 96.04 36.18 40.69 96.55 3 0 21.37-999 ?-999 ?-999 ? O2 SO4 A 146 mTHR~A 51 38.49 42.52 97.76 37.91 43.17 97.28 38.55 42.19 100.13 37.40 41.78 100.00 39.28 42.84 98.95 39.31 44.35 99.22 2 0 22.33-999 ?-999 ?-999 ? O2 SO4 A 146 mVAL~A 52 39.22 42.11 101.28 40.14 42.49 101.24 37.27 42.15 102.81 36.30 41.46 103.11 38.62 41.51 102.47 39.59 41.59 103.67 3 0 20.25-999 ?-999 ?-999 ? O2 SO4 A 146 mGLU~A 53 37.20 43.48 102.72 38.05 43.92 102.44 34.86 43.81 102.03 33.72 43.56 102.43 35.96 44.19 103.02 36.18 45.70 102.97 2 0 19.33-999 ?-999 ?-999 ? O2 SO4 A 146 mGLU~A 54 35.21 43.76 100.75 36.17 43.99 100.59 33.79 41.96 99.80 32.63 41.66 99.49 34.27 43.42 99.68 34.92 43.68 98.32 2 0 18.46-999 ?-999 ?-999 ? O2 SO4 A 146 mVAL~A 55 34.68 41.07 100.24 35.58 41.47 100.44 33.26 39.49 101.46 32.28 38.76 101.24 34.36 39.65 100.42 35.62 38.84 100.88 3 0 16.34-999 ?-999 ?-999 ? O2 SO4 A 146 mALA~A 56 33.41 40.16 102.60 34.24 40.71 102.64 31.11 40.75 103.29 30.04 40.30 103.69 32.43 40.08 103.68 32.99 40.72 104.94 2 0 14.04-999 ?-999 ?-999 ? O2 SO4 A 146 mGLN~A 57 31.20 41.81 102.50 32.13 42.06 102.24 29.13 41.62 101.19 27.90 41.63 101.30 30.00 42.52 102.06 30.39 43.78 101.29 2 0 14.15-999 ?-999 ?-999 ? O2 SO4 A 146 mLEU~A 58 29.77 40.83 100.33 30.77 40.93 100.34 28.50 38.75 100.32 27.37 38.31 100.13 29.04 39.90 99.47 29.95 39.37 98.36 3 0 12.91-999 ?-999 ?-999 ? O1 SO4 A 146 mALA~A 59 29.30 38.31 101.29 30.17 38.79 101.36 27.60 37.48 102.92 26.83 36.56 103.20 28.91 37.21 102.18 30.02 36.93 103.18 2 0 10.15-999 ?-999 ?-999 ? O2 SO4 A 146 mALA~A 60 27.35 38.75 103.23 28.06 39.39 102.94 24.87 38.90 103.12 23.77 38.83 103.67 26.14 39.15 103.94 26.23 40.61 104.35 2 0 8.74-999 ?-999 ?-999 ? O2 SO4 A 146 mGLN.A 61 25.04 38.77 101.80 26.00 38.84 101.52 23.71 37.06 100.56 22.83 36.70 99.78 23.93 38.54 100.87 24.21 39.27 99.55 2 0 7.97-999 ?-999 ?-999 ? O1 SO4 A 146 mLEU.A 62 24.53 36.19 101.15 25.21 36.61 101.76 23.78 34.02 102.07 24.01 34.35 103.23 24.42 34.76 100.91 25.81 34.17 100.68 3 0 6.58-999 ?-999 ?-999 ? O1 SO4 A 146 mPRO~A 63 22.92 33.02 101.76 22.80 32.88 100.78 23.35 31.55 103.62 24.42 31.25 103.09 22.25 32.21 102.78 21.51 31.17 101.95 3 0 -3.42-999 ?-999 ?-999 ? O3 SO4 A 146s mMET~A 64 23.08 31.31 104.90 22.16 31.57 105.18 24.90 29.57 105.25 26.13 29.61 105.31 24.07 30.72 105.82 23.38 30.28 107.12 2 0 -3.77-999 ?-999 ?-999 ? O2 SO4 A 146s mLEU~A 65 24.24 28.55 104.72 23.25 28.64 104.74 25.81 27.77 102.95 26.93 27.28 102.81 24.94 27.40 104.16 23.95 26.29 103.80 3 0 6.36-999 ?-999 ?-999 ? O3 SO4 A 146 mVAL~A 66 25.28 28.64 102.08 24.36 28.94 102.31 27.23 29.92 101.33 28.27 29.91 100.67 26.02 29.08 100.90 25.13 29.93 99.96 3 0 7.62-999 ?-999 ?-999 ? O3 SO4 A 146 mARG~A 67 27.08 30.64 102.44 26.19 30.55 102.87 29.32 30.61 103.43 30.48 30.98 103.27 28.16 31.49 102.96 27.64 32.35 104.11 2 0 8.11-999 ?-999 ?-999 ? O2 SO4 A 146 mGLY~A 68 28.99 29.46 104.01 28.01 29.30 104.10 30.79 27.98 103.28 32.01 27.83 103.34 30.01 28.53 104.46-999.99-999.99-999.99 1 0 10.20-999 ?-999 ?-999 ? O2 SO4 A 146 mLEU~A 69 30.07 27.69 102.19 29.09 27.85 102.30 31.58 28.27 100.37 32.73 28.03 100.01 30.69 27.18 100.97 29.61 26.78 99.96 3 0 12.20-999 ?-999 ?-999 ? O3 SO4 A 146 mTYR~A 70 31.03 29.48 100.30 30.09 29.50 100.64 33.07 30.90 100.42 34.05 31.17 99.72 31.70 30.67 99.78 30.80 31.88 100.02 3 0 12.80-999 ?-999 ?-999 ? O2 SO4 A 146 mTYR~A 71 33.13 30.80 101.74 32.27 30.56 102.18 35.37 29.84 102.49 36.51 30.00 102.92 34.38 31.01 102.47 34.08 31.43 103.91 3 0 14.16-999 ?-999 ?-999 ? O2 SO4 A 146 mGLU~A 72 34.94 28.68 102.00 34.00 28.70 101.66 37.12 27.71 101.24 37.14 28.14 100.08 35.79 27.49 101.97 35.03 26.33 101.32 2 0 16.38-999 ?-999 ?-999 ? O2 SO4 A 146 mGLY.A 73 38.23 27.46 101.94 38.07 27.16 102.88 40.06 29.03 101.12 41.08 29.23 100.46 39.56 27.61 101.36-999.99-999.99-999.99 1 0 19.99-999 ?-999 ?-999 ? O2 SO4 A 146 mTRP.A 74 39.36 30.01 101.68 38.57 29.70 102.22 41.05 31.80 102.16 41.33 31.43 103.30 39.72 31.42 101.51 38.61 32.31 102.08 3 0 19.51-999 ?-999 ?-999 ? O2 SO4 A 146 mASP.A 75 41.86 32.54 101.41 41.49 32.73 100.49 43.08 34.56 101.78 43.33 35.16 100.73 43.15 33.04 101.86 44.28 32.51 100.97 2 0 22.76-999 ?-999 ?-999 ? O2 SO4 A 146 mPRO.A 76 42.73 35.22 102.90 42.57 34.61 103.68 43.91 37.47 102.87 43.88 38.68 102.68 42.61 36.67 102.98 41.95 36.88 104.33 3 0 22.40-999 ?-999 ?-999 ? O2 SO4 A 146 mTHR.A 77 45.05 36.78 102.99 44.93 35.80 103.12 46.84 37.73 101.51 47.68 38.61 101.30 46.35 37.45 102.93 47.44 36.65 103.67 2 0 26.19-999 ?-999 ?-999 ? O2 SO4 A 146 mGLY.A 78 46.33 36.97 100.54 45.66 36.29 100.84 46.08 38.35 98.49 44.91 38.65 98.74 46.73 37.16 99.16-999.99-999.99-999.99 1 0 27.24-999 ?-999 ?-999 ? O2 SO4 A 146 mLYS.A 79 46.84 39.04 97.64 47.78 38.69 97.54 45.21 39.75 95.99 45.33 38.71 95.33 46.33 40.20 96.91 47.45 40.87 96.09 2 0 28.20-999 ?-999 ?-999 ? O2 SO4 A 146 mPRO.A 80 44.09 40.49 95.95 44.08 41.29 96.55 43.39 39.99 93.61 44.17 40.80 93.11 42.98 40.10 95.08 41.94 41.20 95.31 3 0 25.92-999 ?-999 ?-999 ? O2 SO4 A 146 mLEU.A 81 42.92 38.93 92.96 42.34 38.34 93.52 42.57 39.75 90.68 41.42 40.12 90.90 43.22 38.68 91.55 42.76 37.28 91.16 3 0 27.47-999 ?-999 ?-999 ? O2 SO4 A 146 mLYS.A 82 43.31 40.25 89.71 44.23 39.85 89.62 43.06 41.13 87.35 43.23 42.12 86.64 42.80 41.31 88.85 43.35 42.66 89.31 2 0 29.35-999 ?-999 ?-999 ? O2 SO4 A 146 mGLU.A 83 43.07 39.89 86.87 42.93 39.17 87.55 42.11 40.27 84.69 40.96 40.17 85.12 43.28 39.65 85.44 43.34 38.15 85.14 2 0 31.41-999 ?-999 ?-999 ? O2 SO4 A 146 mARG.A 84 42.40 40.91 83.57 43.38 40.88 83.33 40.60 40.78 81.74 39.47 41.13 81.41 41.39 41.60 82.77 42.02 42.81 82.07 2 0 32.24-999 ?-999 ?-999 ? O1 SO4 A 146 mHIS~A 85 41.18 39.68 81.26 42.08 39.48 81.66 39.63 37.73 80.75 39.87 37.15 81.80 40.54 38.85 80.25 41.60 38.28 79.30 3 0 32.88-999 ?-999 ?-999 ? O1 SO4 A 146 mLYS~A 86 38.63 37.39 79.94 38.59 37.93 79.09 38.36 34.99 80.51 38.04 34.29 81.48 37.67 36.34 80.27 36.63 36.19 79.16 2 0 30.73-999 ?-999 ?-999 ? O1 SO4 A 146 mGLU~A 87 39.32 34.64 79.66 39.50 35.31 78.94 40.72 33.15 81.13 40.75 32.04 81.64 40.03 33.37 79.78 41.04 33.17 78.65 2 0 32.27-999 ?-999 ?-999 ? O3 SO4 A 146 mALA~A 88 41.27 34.22 81.70 41.18 35.07 81.17 40.95 33.77 84.08 41.20 32.88 84.89 41.95 34.13 82.98 42.64 35.45 83.31 2 0 31.27-999 ?-999 ?-999 ? O3 SO4 A 146 mPHE~A 89 39.82 34.46 84.10 39.74 35.16 83.38 38.21 32.79 84.93 38.03 32.08 85.92 38.79 34.19 85.09 37.67 35.23 85.01 3 0 27.58-999 ?-999 ?-999 ? O3 SO4 A 146 mLEU~A 90 37.90 32.41 83.70 38.09 33.09 82.99 38.30 29.97 83.81 37.87 28.90 84.25 37.33 31.09 83.44 36.85 30.97 81.99 3 0 27.65-999 ?-999 ?-999 ? O3 SO4 A 146 mALA~A 91 39.60 30.23 83.67 39.81 31.14 83.31 40.58 28.97 85.54 40.78 27.83 85.98 40.61 29.24 84.03 42.00 29.72 83.61 2 0 29.48-999 ?-999 ?-999 ? O3 SO4 A 146 mHIS~A 92 40.31 30.01 86.32 40.17 30.87 85.83 38.97 29.08 88.15 38.99 28.26 89.06 40.22 29.87 87.78 40.21 31.24 88.45 3 0 26.63-999 ?-999 ?-999 ? O3 SO4 A 146 mVAL~A 93 37.87 29.34 87.44 37.98 30.06 86.75 36.87 27.16 87.30 36.52 26.25 88.05 36.62 28.62 87.67 35.47 29.18 86.78 3 0 24.15-999 ?-999 ?-999 ? O3 SO4 A 146 mALA~A 94 37.54 26.95 86.16 37.80 27.79 85.69 38.72 24.80 86.64 38.60 23.58 86.71 37.85 25.61 85.67 38.54 25.70 84.32 2 0 26.87-999 ?-999 ?-999 ? O3 SO4 A 146 mGLU~A 95 39.57 25.49 87.40 39.55 26.47 87.25 39.69 24.05 89.44 40.22 23.07 89.98 40.44 24.83 88.37 41.37 25.84 89.03 2 0 27.13-999 ?-999 ?-999 ? O3 SO4 A 146 mGLU~A 96 38.48 24.49 89.77 38.18 25.30 89.27 36.55 22.95 90.20 35.67 22.47 90.93 37.68 23.80 90.78 37.16 24.79 91.82 2 0 23.86-999 ?-999 ?-999 ? O3 SO4 A 146 mLEU.A 97 36.60 22.74 88.89 37.37 23.20 88.44 36.33 20.72 87.57 35.73 19.96 86.81 35.63 21.93 88.18 34.95 22.73 87.07 3 0 24.70-999 ?-999 ?-999 ? O3 SO4 A 146 mLYS^A 98 37.60 20.54 87.91 37.96 21.23 88.54 37.89 18.08 87.87 37.56 17.90 89.05 38.39 19.43 87.40 39.86 19.57 87.80 2 0 28.00-999 ?-999 ?-999 ? O3 SO4 A 146 mTHR^A 99 37.80 17.14 86.94 38.05 17.46 86.02 38.33 14.86 86.45 39.16 15.36 85.68 37.37 15.77 87.22 35.91 15.50 86.76 2 0 29.17-999 ?-999 ?-999 ? O3 SO4 A 146 mPRO.A 100 38.26 13.53 86.66 37.56 13.25 87.31 39.21 12.81 84.44 40.25 12.56 83.82 39.15 12.60 85.95 38.56 11.25 86.32 3 0 32.70-999 ?-999 ?-999 ? O3 SO4 A 146 mSER.A 101 38.10 13.26 83.85 37.34 13.42 84.48 37.47 14.88 82.07 36.27 15.02 81.81 38.04 13.50 82.41 37.20 12.41 81.72 2 0 33.79-999 ?-999 ?-999 ? O3 SO4 A 146 mGLY^A 102 38.34 15.89 82.08 39.27 15.64 82.33 37.05 17.95 82.78 36.74 17.39 83.83 37.93 17.25 81.76-999.99-999.99-999.99 1 0 32.40-999 ?-999 ?-999 ? O3 SO4 A 146 mPRO^A 103 36.65 19.21 82.51 36.98 19.55 81.63 34.43 19.38 83.62 33.81 18.90 82.67 35.80 20.01 83.41 35.68 21.34 82.66 3 0 28.90-999 ?-999 ?-999 ? O3 SO4 A 146 mALA.A 104 33.96 19.40 84.86 34.57 19.83 85.52 31.53 19.55 84.48 30.52 18.94 84.12 32.65 18.84 85.22 32.44 18.95 86.72 2 0 26.40-999 ?-999 ?-999 ? O3 SO4 A 146 mVAL.A 105 31.70 20.86 84.29 32.56 21.20 84.67 31.55 22.70 82.77 32.65 23.07 83.16 30.74 21.71 83.61 29.88 22.52 84.62 3 0 25.60-999 ?-999 ?-999 ? O3 SO4 A 146 mASP~A 106 31.02 23.12 81.62 30.13 22.72 81.38 31.92 25.34 81.68 30.95 25.87 82.19 31.74 24.09 80.81 30.95 24.47 79.56 2 0 27.68-999 ?-999 ?-999 ? O3 SO4 A 146 mPRO~A 107 33.17 25.81 81.84 33.87 25.29 81.36 32.60 28.23 82.42 32.07 28.80 83.38 33.48 27.00 82.66 34.94 27.27 82.32 3 0 26.35-999 ?-999 ?-999 ? O3 SO4 A 146 mGLU~A 108 32.44 28.65 81.17 32.92 28.12 80.47 30.14 29.56 81.24 29.47 30.42 81.82 31.60 29.82 80.90 31.73 30.31 79.45 2 0 26.69-999 ?-999 ?-999 ? O3 SO4 A 146 mALA~A 109 29.64 28.38 80.88 30.28 27.78 80.41 28.01 28.04 82.68 26.99 28.55 83.15 28.25 28.02 81.17 27.94 26.64 80.61 2 0 25.27-999 ?-999 ?-999 ? O3 SO4 A 146 mALA~A 110 28.95 27.48 83.43 29.72 27.10 82.91 28.85 28.87 85.45 28.04 29.21 86.32 28.86 27.45 84.89 30.05 26.67 85.46 2 0 22.17-999 ?-999 ?-999 ? O3 SO4 A 146 mTHR~A 111 29.73 29.71 84.92 30.30 29.31 84.20 28.58 31.91 85.06 28.08 32.62 85.93 29.84 31.10 85.36 31.07 31.77 84.73 2 0 21.88-999 ?-999 ?-999 ? O3 SO4 A 146 mARG~A 112 28.06 31.79 83.84 28.56 31.18 83.23 25.64 32.09 84.26 24.82 32.92 84.63 26.86 32.52 83.45 26.60 32.39 81.95 2 0 22.53-999 ?-999 ?-999 ? O3 SO4 A 146 mALA~A 113 25.54 30.79 84.54 26.28 30.23 84.19 24.42 30.79 86.75 23.39 31.24 87.27 24.41 30.27 85.31 24.43 28.75 85.30 2 0 20.03-999 ?-999 ?-999 ? O3 SO4 A 146 mVAL~A 114 25.58 30.72 87.39 26.33 30.33 86.86 25.56 32.71 88.88 24.89 33.18 89.79 25.72 31.18 88.77 27.06 30.71 89.39 3 0 17.09-999 ?-999 ?-999 ? O3 SO4 A 146 mPHE~A 115 26.15 33.46 87.95 26.66 32.95 87.26 24.57 35.34 87.78 24.11 36.32 88.37 26.03 34.92 87.98 26.91 35.57 86.90 3 0 18.08-999 ?-999 ?-999 ? O1 SO4 A 146 mLYS~A 116 23.84 34.59 86.96 24.34 33.83 86.55 21.61 34.69 87.98 20.80 35.55 88.34 22.43 34.86 86.70 21.90 33.92 85.61 2 0 18.29-999 ?-999 ?-999 ? O1 SO4 A 146 mVAL~A 117 21.84 33.58 88.68 22.53 32.97 88.28 21.52 34.31 90.99 20.65 34.82 91.71 21.13 33.29 89.92 21.40 31.84 90.39 3 0 14.85-999 ?-999 ?-999 ? O1 SO4 A 146 mLEU~A 118 22.81 34.63 91.07 23.40 34.15 90.42 22.62 36.97 91.85 22.17 37.59 92.82 23.30 35.61 92.05 24.81 35.80 91.93 3 0 13.44-999 ?-999 ?-999 ? O1 SO4 A 146 mSER~A 119 22.56 37.42 90.60 22.96 36.81 89.92 20.47 38.80 90.65 19.94 39.89 90.87 21.94 38.71 90.27 22.12 39.02 88.78 2 0 15.58-999 ?-999 ?-999 ? O1 SO4 A 146 mARG~A 120 19.80 37.65 90.73 20.35 36.84 90.52 18.21 37.48 92.61 17.19 37.90 93.17 18.39 37.62 91.10 17.68 36.47 90.36 2 0 14.22-999 ?-999 ?-999 ? O1 SO4 A 146 mGLU~A 121 19.22 36.94 93.29 20.02 36.71 92.74 19.69 37.82 95.63 19.16 38.05 96.72 19.13 36.72 94.73 19.77 35.38 95.09 2 0 10.47-999 ?-999 ?-999 ? O1 SO4 A 146 mILE~A 122 20.75 38.48 95.20 21.09 38.20 94.30 20.69 40.90 95.75 19.99 41.07 94.75 21.35 39.54 96.01 22.89 39.63 95.81 3 0 10.84-999 ?-999 ?-999 ? O1 SO4 A 146 mSER~A 123 20.90 41.84 96.66 21.47 41.55 97.43 20.88 43.88 95.30 21.99 43.58 94.86 20.32 43.18 96.52 20.62 44.01 97.77 2 0 12.80-999 ?-999 ?-999 ? O1 SO4 A 146 mGLN~A 124 20.10 44.79 94.73 19.22 44.92 95.18 21.81 46.33 93.88 22.70 46.46 93.05 20.54 45.54 93.56 19.43 46.50 93.10 2 0 16.53-999 ?-999 ?-999 ? O1 SO4 A 146 mGLY~A 125 21.88 46.83 95.12 21.08 46.64 95.69 24.32 46.77 95.54 25.37 47.26 95.13 23.04 47.58 95.56-999.99-999.99-999.99 1 0 17.31-999 ?-999 ?-999 ? O1 SO4 A 146 mGLU~A 126 24.24 45.52 96.00 23.34 45.25 96.33 25.79 44.25 94.58 26.97 44.20 94.23 25.41 44.65 96.00 25.17 43.42 96.88 2 0 15.53-999 ?-999 ?-999 ? O1 SO4 A 146 mLEU~A 127 24.78 44.01 93.74 23.87 44.10 94.15 25.77 44.76 91.63 26.75 44.51 90.93 25.02 43.64 92.35 23.69 43.36 91.63 3 0 17.06-999 ?-999 ?-999 ? O1 SO4 A 146 mGLU~A 128 25.30 45.99 91.80 24.50 46.05 92.39 27.36 47.33 91.68 28.27 47.64 90.91 25.94 47.14 91.16 25.11 48.40 91.40 2 0 20.43-999 ?-999 ?-999 ? O1 SO4 A 146 mASP~A 129 27.55 47.10 92.97 26.73 46.83 93.47 29.83 46.20 92.99 30.93 46.55 92.57 28.87 47.23 93.59 28.76 47.04 95.11 2 0 20.21-999 ?-999 ?-999 ? O1 SO4 A 146 mVAL~A 130 29.41 44.94 92.94 28.49 44.80 93.31 30.58 44.13 90.92 31.74 44.01 90.52 30.24 43.87 92.38 29.57 42.49 92.53 3 0 19.57-999 ?-999 ?-999 ? O1 SO4 A 146 mLEU~A 131 29.58 44.52 90.13 28.69 44.59 90.58 30.82 45.93 88.54 31.69 45.86 87.68 29.81 44.81 88.71 28.49 45.18 88.03 3 0 22.31-999 ?-999 ?-999 ? O1 SO4 A 146 mGLY~A 132 30.73 46.96 89.39 29.99 46.88 90.06 33.09 47.72 89.64 34.01 48.47 89.30 31.65 48.08 89.32-999.99-999.99-999.99 1 0 24.64-999 ?-999 ?-999 ? O1 SO4 A 146 mLEU~A 133 33.29 46.58 90.29 32.45 46.08 90.50 35.23 45.20 89.60 36.39 44.82 89.70 34.63 46.12 90.66 34.56 45.37 91.99 3 0 24.43-999 ?-999 ?-999 ? O1 SO4 A 146 mLEU.A 134 34.45 44.88 88.58 33.55 45.31 88.59 35.21 44.59 86.19 34.61 45.59 85.81 34.90 43.96 87.54 33.85 42.87 87.33 3 0 25.53-999 ?-999 ?-999 ? O1 SO4 A 146 mPRO~A 135 36.18 44.01 85.45 36.60 43.21 85.89 35.42 44.22 83.16 34.58 43.36 83.44 36.58 44.49 84.13 37.78 43.61 83.78 3 0 29.11-999 ?-999 ?-999 ? O1 SO4 A 146 mLYS~A 136 35.40 44.93 82.04 36.17 45.56 81.95 34.09 43.35 80.56 32.94 42.93 80.45 34.35 44.78 81.03 34.64 45.69 79.83 2 0 30.29-999 ?-999 ?-999 ? O1 SO4 A 146 mGLU~A 137 35.16 42.60 80.29 36.04 43.05 80.42 34.34 40.31 80.86 33.65 39.36 80.50 35.00 41.22 79.82 36.34 40.63 79.36 2 0 30.46-999 ?-999 ?-999 ? O1 SO4 A 146 mLEU~A 138 34.51 40.64 82.14 35.08 41.45 82.30 32.47 40.29 83.51 31.64 39.49 83.93 33.90 39.85 83.20 34.78 39.85 84.46 3 0 26.80-999 ?-999 ?-999 ? O1 SO4 A 146 mARG~A 139 32.18 41.58 83.28 32.94 42.13 82.96 29.91 41.48 82.44 28.72 41.27 82.68 30.82 42.09 83.50 30.77 43.62 83.40 2 0 25.66-999 ?-999 ?-999 ? O1 SO4 A 146 mALA~A 140 30.48 41.18 81.28 31.45 41.41 81.24 29.22 39.19 80.51 28.33 38.68 79.83 29.75 40.59 80.17 30.63 40.53 78.93 2 0 27.62-999 ?-999 ?-999 ? O1 SO4 A 146 mLEU.A 141 29.78 38.58 81.55 30.50 39.12 82.00 28.07 37.29 82.81 27.46 36.25 83.08 29.36 37.25 81.99 30.48 36.57 82.78 3 0 25.13-999 ?-999 ?-999 ? O1 SO4 A 146 mTRP.A 142 27.67 38.49 83.22 28.28 39.24 82.96 25.32 39.06 83.05 25.56 39.59 81.96 26.45 38.69 84.00 26.64 39.83 85.01 3 0 22.52-999 ?-999 ?-999 ? O1 SO4 A 146 mPRO.A 143 24.06 38.80 83.45 23.98 38.38 84.35 22.76 40.61 82.26 22.25 40.96 81.19 22.91 39.13 82.59 21.72 38.59 83.40 3 0 23.09-999 ?-999 ?-999 ? O1 SO4 A 146 mGLN.A 144 23.21 41.48 83.16 23.60 41.06 83.98 24.08 43.36 81.82 23.82 44.34 81.11 23.14 42.93 82.94 23.50 43.69 84.23 2 0 24.04-999 ?-999 ?-999 ? O1 SO4 A 146 mGLY.A 145 25.17 42.61 81.65 25.26 41.84 82.29 27.19 43.92 81.06 27.00 44.60 82.09 26.14 42.92 80.62-999.99-999.99-999.99 1 0 26.77-999 ?-999 ?-999 ? O1 SO4 A 146